Chemical identity

1,4-Diazepan-2-one hydrochloride

CAS not listed · C5H11ClN2O

01Identity

Identifiers and names for this exact compound. Empty fields are left unassigned.

Lazychem IDLC-64563
PubChem CID23447544
Name1,4-Diazepan-2-one hydrochloride
CAS RNNot listed
Molecular formulaC5H11ClN2O
Molecular weight150.61 g/mol
IUPAC name1,4-diazepan-2-one;hydrochloride
InChIKeyAMPBCAMPFHRYOB-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 23447544
Two-dimensional chemical structure of 1,4-Diazepan-2-one hydrochloride
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 1 ring, includes aliphatic carbon, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres0
Unassigned stereocentres0
Ring count1
Secondary amines1
Tertiary amines0
N-methyl amine sites0
SMILESC1CNCC(=O)NC1.Cl
InChINot listed
Formula from structureC5H11ClN2O
Molecular weight from structure150.61 g/mol

03Possible N-nitroso structures

Calculated from the exact published structure. These are structural screening candidates, not confirmed impurities, formation predictions or analytical findings.

Matched amine site1 candidate
Chemical structure of 1,4-Diazepan-2-one hydrochloride with the matched amine site highlighted in amber
Amber marks the secondary-amine nitrogen and its attached bonds, or the tertiary N-methyl bond used for the dealkylation screen.
First calculated candidateUnverified identity
First calculated possible N-nitroso structure derived from 1,4-Diazepan-2-one hydrochloride, with the new N-nitroso group highlighted in amber
The new N-N=O atoms and bonds are highlighted. No CAS number or compound name is assigned by this calculation.
Candidate 1Direct secondary-amine nitrosation
Matched site
N atom 3
Calculated formula
C5H10ClN3O2
Candidate SMILES
Cl.O=NN1CCCNC(=O)C1

Interpretation: A structural alert alone does not establish that a nitrosamine forms. Evaluate nitrite sources, amine reagents, pH, temperature, process sequence, purge and analytical evidence.

04India status for this compound

These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.

NDPS / RCSNO EXACT MATCH FOUNDNo CAS number is available for an exact comparison.
SCOMETNO EXACT REVIEWED CAS MATCHNo CAS number is available for an exact comparison.
Review date2026-08-01Recheck the current official instruments for the material, concentration, activity and date in question.

05Names and relationships

Associated parent compound

No parent compound is listed.

Other names

No synonyms are listed.

Related records from the same parent family

No related records are linked by parent name.

06Documented history

Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.

No dated history available

No verified discovery, first report, occurrence, use or issue event is currently available for this identity.

07Sources